| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3I1VBB7AXH |
| EPA CompTox | DTXSID4048987 |
Structure
| InChI Key | LVYLCBNXHHHPSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10O4 |
| Molecular Weight | 182.06 |
| AlogP | 0.54 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 66.76 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 87-28-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3I1VBB7AXH |
| PubChem | 6880 |
| ChemSpider | 6616.0 |
CONTENTS
